REMARK  Name = BDB061218
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.834  -0.385   1.339  0.00  0.00    -0.221 N 
ATOM      2  H   LIG    1       -1.058  -1.329   1.649  0.00  0.00    +0.173 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.377  -0.205   0.611  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1        0.957  -1.317  -0.004  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1        2.139  -1.176  -0.734  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        2.746   0.075  -0.843  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1        2.175   1.182  -0.218  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.993   1.042   0.512  0.00  0.00    +0.024 A 
ENDBRANCH   1   3
BRANCH   1  10
ATOM      9  C   LIG    1       -2.468   0.033  -0.774  0.00  0.00    +0.218 C 
ATOM     10  S   LIG    1       -2.208   0.495   0.928  0.00  0.00    +0.040 S 
ATOM     11  O   LIG    1       -3.285  -0.086   1.702  0.00  0.00    -0.155 OA
ATOM     12  O   LIG    1       -1.926   1.912   0.985  0.00  0.00    -0.155 OA
ENDBRANCH   1  10
TORSDOF 2